N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide

C21H21NO3 — CID 111115615

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
SMILESCOc1cccc(C(O)CNC(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H21NO3/c1-25-19-8-4-7-18(13-19)20(23)14-22-21(24)12-15-9-10-16-5-2-3-6-17(16)11-15/h2-11,13,20,23H,12,14H2,1H3,(H,22,24)
InChIKeyRJEFAQOUAKNWNF-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.24
Rot. Bonds6

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide (PubChem CID 111115615) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
PubChem CID111115615
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
SMILESCOc1cccc(C(O)CNC(=O)Cc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H21NO3/c1-25-19-8-4-7-18(13-19)20(23)14-22-21(24)12-15-9-10-16-5-2-3-6-17(16)11-15/h2-11,13,20,23H,12,14H2,1H3,(H,22,24)
InChIKeyRJEFAQOUAKNWNF-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
CID 95618412
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)acetamide
CID 110888834
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 110663372
3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111115447
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide (CID 111115615) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide is COc1cccc(C(O)CNC(=O)Cc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide?
The InChIKey is RJEFAQOUAKNWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-25-19-8-4-7-18(13-19)20(23)14-22-21(24)12-15-9-10-16-5-2-3-6-17(16)11-15/h2-11,13,20,23H,12,14H2,1H3,(H,22,24).
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide has a molecular weight of 335.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 111115615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).